Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21865069 | 0.82 | TSHR (0.46) | MAPTKMT2AMAPK1PRKDCSMN1; SMN2 | |
| SCHEMBL3122343 | 0.78 | SLC6A5 (0.55) | CCR5MAPTKMT2ASLC6A5MAPK1 | |
| SCHEMBL29508149 | 0.78 | SLC6A5 (0.55) | CCR5MAPTKMT2ASLC6A5MAPK1 | |
| SCHEMBL23336133 | 0.75 | KMT2A (0.45) | MAPTKMT2ARXFP1SLC6A5SMN1; SMN2 | |
| SCHEMBL2795825 | 0.74 | CCR5 (0.52) | BACE1CCR5MAPTSLC6A5MAPK1 | |
| SCHEMBL17579481 | 0.73 | HTT (0.50) | CCR5MAPTRXFP1MAPK1SMN1; SMN2 | |
| SCHEMBL29173402 | 0.73 | MAPT (0.50) | MAPTKMT2AMAPK1SMN1; SMN2GAA | |
| SCHEMBL13718469 | 0.73 | MAPT (0.64) | BACE1CCR5MAPTKMT2AMAPK1 | |
| SCHEMBL29173362 | 0.72 | CCR5 (0.47) | BACE1CCR5MAPTKMT2ASLC6A5 | |
| SCHEMBL2711594 | 0.71 | KDM4E (0.59) | BACE1CCR5MAPTKMT2ASMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |